2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole

C14H16N2O2 — CID 115045278

IUPAC2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole
SMILESCOc1ccccc1-c1nc(C2CCNC2)co1
InChIInChI=1S/C14H16N2O2/c1-17-13-5-3-2-4-11(13)14-16-12(9-18-14)10-6-7-15-8-10/h2-5,9-10,15H,6-8H2,1H3
InChIKeyGGIQLQWNXDCLTI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.43
Rot. Bonds3

About 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole

2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 115045278) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole
PubChem CID115045278
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole
SMILESCOc1ccccc1-c1nc(C2CCNC2)co1
InChIInChI=1S/C14H16N2O2/c1-17-13-5-3-2-4-11(13)14-16-12(9-18-14)10-6-7-15-8-10/h2-5,9-10,15H,6-8H2,1H3
InChIKeyGGIQLQWNXDCLTI-UHFFFAOYSA-N
XLogP2.43
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole (CID 115045278) is 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole is COc1ccccc1-c1nc(C2CCNC2)co1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is GGIQLQWNXDCLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-5-3-2-4-11(13)14-16-12(9-18-14)10-6-7-15-8-10/h2-5,9-10,15H,6-8H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole?
2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 244.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 115045278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).